Geometry & MOs

Info

ID:	179134
PubChem CID:	76440687
Reduced:	ON6C17H30 (1)
Stoich.:	AB6C17D30 (1)
Weight, g/mol:	337.141299
ΔH_f, kcal/mol:	-37.18
Dipole, Da:	5.42
IP(EA), eV:	-8.78(0.67)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-ethyl-11-(2-methoxy-5-methylphenyl)-3,5,7,8,11-pentaza-2-azoniatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,7,12-pentaen-10-one

Drug info:

PubChemData

Smile

CCN1CCCC(C1)C2=NC=CN2CCNC3NC(CC(=O)N3)C

DOS

IR

Vibrations